3-(difluoromethyl)-1,2,4-triazine

C4H3F2N3 — CID 150454484

IUPAC3-(difluoromethyl)-1,2,4-triazine
SMILESFC(F)c1nccnn1
InChIInChI=1S/C4H3F2N3/c5-3(6)4-7-1-2-8-9-4/h1-3H
InChIKeyHOMKBTKNENGUQH-UHFFFAOYSA-N
MW131.09 g/mol
LogP0.81
Rot. Bonds1

About 3-(difluoromethyl)-1,2,4-triazine

3-(difluoromethyl)-1,2,4-triazine (PubChem CID 150454484) has the molecular formula C4H3F2N3 and a molecular weight of 131.09 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-(difluoromethyl)-1,2,4-triazine
PubChem CID150454484
Molecular FormulaC4H3F2N3
Molecular Weight131.09 g/mol
Exact Mass131.03
IUPAC Name3-(difluoromethyl)-1,2,4-triazine
SMILESFC(F)c1nccnn1
InChIInChI=1S/C4H3F2N3/c5-3(6)4-7-1-2-8-9-4/h1-3H
InChIKeyHOMKBTKNENGUQH-UHFFFAOYSA-N
XLogP0.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethyl)-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,2,4-triazine?
The IUPAC name of 3-(difluoromethyl)-1,2,4-triazine (CID 150454484) is 3-(difluoromethyl)-1,2,4-triazine.
What is the SMILES notation for 3-(difluoromethyl)-1,2,4-triazine?
The canonical SMILES for 3-(difluoromethyl)-1,2,4-triazine is FC(F)c1nccnn1.
What is the InChIKey of 3-(difluoromethyl)-1,2,4-triazine?
The InChIKey is HOMKBTKNENGUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2N3/c5-3(6)4-7-1-2-8-9-4/h1-3H.
What are the key properties of 3-(difluoromethyl)-1,2,4-triazine?
3-(difluoromethyl)-1,2,4-triazine has a molecular weight of 131.09 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,2,4-triazine is sourced from PubChem (CID 150454484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).